ChemSpider 2D Image | emodin-8-O-?-gentiobioside | C27H30O15

emodin-8-O-?-gentiobioside

  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID32701362

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
3,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
66466-22-6 [RN]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 3,8-dihydroxy-6-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,8-dihydroxy-6-methyl- [ACD/Index Name]
emodin-8-O-?-gentiobioside
1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
Emodin-8-o-β-gentiobioside
EMODIN-8-O-β-GENTIOBIOSIDE

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

W2DPV427KS [DBID]
UNII:W2DPV427KS [DBID]
UNII-W2DPV427KS [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 970.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.1±3.0 kJ/mol
Flash Point: 322.2±27.8 °C
Index of Refraction: 1.745
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.55
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 118.8±5.0 dyne/cm
Molar Volume: 334.3±5.0 cm3

Click to predict properties on the Chemicalize site


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